[3-[5-[3-(aminomethyl)phenyl]peroxypentoxy]phenyl]methanamine

C19H26N2O3 — CID 22002116

IUPAC[3-[5-[3-(aminomethyl)phenyl]peroxypentoxy]phenyl]methanamine
SMILESNCc1cccc(OCCCCCOOc2cccc(CN)c2)c1
InChIInChI=1S/C19H26N2O3/c20-14-16-6-4-8-18(12-16)22-10-2-1-3-11-23-24-19-9-5-7-17(13-19)15-21/h4-9,12-13H,1-3,10-11,14-15,20-21H2
InChIKeyIAFDFZCQWGFPIY-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.16
Rot. Bonds11

About [3-[5-[3-(aminomethyl)phenyl]peroxypentoxy]phenyl]methanamine

[3-[5-[3-(aminomethyl)phenyl]peroxypentoxy]phenyl]methanamine (PubChem CID 22002116) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is [3-[5-[3-(aminomethyl)phenyl]peroxypentoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[5-[3-(aminomethyl)phenyl]peroxypentoxy]phenyl]methanamine
PubChem CID22002116
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name[3-[5-[3-(aminomethyl)phenyl]peroxypentoxy]phenyl]methanamine
SMILESNCc1cccc(OCCCCCOOc2cccc(CN)c2)c1
InChIInChI=1S/C19H26N2O3/c20-14-16-6-4-8-18(12-16)22-10-2-1-3-11-23-24-19-9-5-7-17(13-19)15-21/h4-9,12-13H,1-3,10-11,14-15,20-21H2
InChIKeyIAFDFZCQWGFPIY-UHFFFAOYSA-N
XLogP3.16
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

5-[3-(aminomethyl)phenoxy]pentan-1-ol
CID 62228589
[3-(3-hexoxypropoxy)phenyl]methanamine
CID 43254403
[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
CID 43254185
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
5-[2-[2-[6-[3-(aminomethyl)phenoxy]hexoxy]ethoxy]ethoxy]pentanoic acid
CID 164592889
[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine
CID 103401471
[3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine
CID 55231654
[3-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998
[3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine
CID 43254100
[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 167192586
[3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine
CID 43254018
3-[3-(aminomethyl)phenoxy]propane-1-sulfonamide
CID 174751701

Frequently Asked Questions

What is the IUPAC name of [3-[5-[3-(aminomethyl)phenyl]peroxypentoxy]phenyl]methanamine?
The IUPAC name of [3-[5-[3-(aminomethyl)phenyl]peroxypentoxy]phenyl]methanamine (CID 22002116) is [3-[5-[3-(aminomethyl)phenyl]peroxypentoxy]phenyl]methanamine.
What is the SMILES notation for [3-[5-[3-(aminomethyl)phenyl]peroxypentoxy]phenyl]methanamine?
The canonical SMILES for [3-[5-[3-(aminomethyl)phenyl]peroxypentoxy]phenyl]methanamine is NCc1cccc(OCCCCCOOc2cccc(CN)c2)c1.
What is the InChIKey of [3-[5-[3-(aminomethyl)phenyl]peroxypentoxy]phenyl]methanamine?
The InChIKey is IAFDFZCQWGFPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c20-14-16-6-4-8-18(12-16)22-10-2-1-3-11-23-24-19-9-5-7-17(13-19)15-21/h4-9,12-13H,1-3,10-11,14-15,20-21H2.
What are the key properties of [3-[5-[3-(aminomethyl)phenyl]peroxypentoxy]phenyl]methanamine?
[3-[5-[3-(aminomethyl)phenyl]peroxypentoxy]phenyl]methanamine has a molecular weight of 330.43 g/mol, XLogP of 3.16, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[3-(aminomethyl)phenyl]peroxypentoxy]phenyl]methanamine is sourced from PubChem (CID 22002116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).